N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine

C15H30N2O — CID 116522907

IUPACN-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(CC1CCNCC1)CC1CCC(C)(C)O1
InChIInChI=1S/C15H30N2O/c1-4-17(11-13-6-9-16-10-7-13)12-14-5-8-15(2,3)18-14/h13-14,16H,4-12H2,1-3H3
InChIKeyIPFRBDGVHAFPAD-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds5

About N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine

N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine (PubChem CID 116522907) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
PubChem CID116522907
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(CC1CCNCC1)CC1CCC(C)(C)O1
InChIInChI=1S/C15H30N2O/c1-4-17(11-13-6-9-16-10-7-13)12-14-5-8-15(2,3)18-14/h13-14,16H,4-12H2,1-3H3
InChIKeyIPFRBDGVHAFPAD-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 116522909
N-[(5-methyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 82837967
N-[(5,5-dimethyloxolan-2-yl)methyl]-N-propylpiperidin-4-amine
CID 116522849
3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]propan-1-ol
CID 116523456
N-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethylpiperidin-3-amine
CID 116522873
N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propylethane-1,2-diamine
CID 116520960
N-[(5,5-dimethyloxolan-2-yl)methyl]-N-propylazetidin-3-amine
CID 116522896
N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106640288
N-ethyl-2,2,2-trifluoro-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
CID 119930511
1-[ethyl(piperidin-4-ylmethyl)amino]-2-methylpropan-2-ol
CID 79716731
N-ethyl-N-(piperidin-4-ylmethyl)hexan-1-amine
CID 79715887
N-ethyl-4-methylsulfanyl-N-(piperidin-4-ylmethyl)butan-1-amine
CID 103089513

Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine (CID 116522907) is N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine.
What is the SMILES notation for N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The canonical SMILES for N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine is CCN(CC1CCNCC1)CC1CCC(C)(C)O1.
What is the InChIKey of N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The InChIKey is IPFRBDGVHAFPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-17(11-13-6-9-16-10-7-13)12-14-5-8-15(2,3)18-14/h13-14,16H,4-12H2,1-3H3.
What are the key properties of N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 116522907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).